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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO6.ClH
Molecular Weight 465.967
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEHYTISINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12[C@@H]3C[C@]45CC(=C)[C@@H]6[C@@H](O)[C@@]4([H])[C@]17C[C@H](C[C@@]2(C)CN3[C@]7([H])[C@@]5(O)[C@@H]6OC(C)=O)OC(C)=O

InChI

InChIKey=XLEKGZKRQPLVMO-KAEXOAASSA-N
InChI=1S/C24H31NO6.ClH/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21;/h13-20,28-29H,1,5-9H2,2-4H3;1H/t13-,14-,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H31NO6
Molecular Weight 429.506
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
DL5WN5NT29
Record Status Validated (UNII)
Record Version